(3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine

C11H21FN2O — CID 175988469

IUPAC(3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine
SMILESCO[C@H]1CCN(C2CCNCC2)C[C@H]1F
InChIInChI=1S/C11H21FN2O/c1-15-11-4-7-14(8-10(11)12)9-2-5-13-6-3-9/h9-11,13H,2-8H2,1H3/t10-,11+/m1/s1
InChIKeyLLTFJCALJQACAB-MNOVXSKESA-N
MW216.30 g/mol
LogP0.80
Rot. Bonds2

About (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine

(3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine (PubChem CID 175988469) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine
PubChem CID175988469
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name(3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine
SMILESCO[C@H]1CCN(C2CCNCC2)C[C@H]1F
InChIInChI=1S/C11H21FN2O/c1-15-11-4-7-14(8-10(11)12)9-2-5-13-6-3-9/h9-11,13H,2-8H2,1H3/t10-,11+/m1/s1
InChIKeyLLTFJCALJQACAB-MNOVXSKESA-N
XLogP0.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4'-Bipiperidin-4-ol
CID 22061342
N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 3153472
(2R,6S)-2,6-dimethyl-4-(piperidin-4-yl)morpholine
CID 795717
(3-Isopropoxy-propyl)-(1-methyl-piperidin-4-yl)-amine
CID 3155083
1-(1-Methylethyl)-4-(4-piperidinyloxy)piperidine
CID 11623565
1-Methyl-4-(piperidin-4-yloxy)piperidine
CID 23079657
2-[2-(4-Fluoropiperidin-1-yl)ethyl]morpholine
CID 23079672
2-Methyl-4-(piperidin-4-yl)morpholine
CID 24701981
4-(3-Fluoro-piperidin-4-yl)-morpholine
CID 68670746
1-(3-Fluoro-4-methoxypiperidin-1-yl)propan-2-amine
CID 69000244
(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
CID 118406808
(2S,6R)-4-(3-fluoropiperidin-4-yl)-2,6-dimethylmorpholine
CID 118407419

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine?
The IUPAC name of (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine (CID 175988469) is (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine is CO[C@H]1CCN(C2CCNCC2)C[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine?
The InChIKey is LLTFJCALJQACAB-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21FN2O/c1-15-11-4-7-14(8-10(11)12)9-2-5-13-6-3-9/h9-11,13H,2-8H2,1H3/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine?
(3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine has a molecular weight of 216.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methoxy-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 175988469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).